| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:28 UTC |
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| Update Date | 2025-03-21 18:05:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058523 |
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| Frequency | 53.9 |
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| Structure | |
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| Chemical Formula | C8H12O4S |
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| Molecular Mass | 204.0456 |
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| SMILES | O=C(O)CC1CCC(CC(=O)O)S1 |
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| InChI Key | RVHOHEVKDFLFPO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesorganic oxidesthiolanes |
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| Substituents | thiolanecarbonyl groupcarboxylic aciddialkylthioetherorganic oxideorganic oxygen compoundthioetheraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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